10-O-Demethylcephaeline
AlkaPlorer ID: AK017117
Synonym: '(-)-10-Demethylcephaeline'
IUPAC Name: (2S,3R,11bS)-3-ethyl-2-[[(1R)-6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-10-ol
Structure
SMILES: CC[C@H]1CN2CCC3=CC(OC)=C(O)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(O)=C(OC)C=C21
InChI: InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)25(31)13-21(18)23(29)10-19(16)9-22-20-14-27(33-3)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22+,23-/m0/s1
InChIKey: QBNRQKFLWJOWBD-IKPGRFEGSA-N
Reference
Two <i>Alangium</i> Alkaloids from <i>Alangium </i><i>l</i><i>amarckii</i>
PubChem CID: 185699
CAS: 29700-91-2
LOTUS: LTS0106263
SuperNatural Ⅲ: SN0300920-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium longiflorum | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 452.59500000000025
TPSA？: 74.19000000000001
MolLogP？: 4.337400000000003
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|